Greetings, List, I have a set of data that I used to analyze through VMD. As the set is quite heavy and there are many of them, using VMD was a bit cumbersome. So it has been decided that working in GROMACS would present benefits.
The first step that I executed was to compile via CentOs terminal the 'template.c' that comes with GROMACS 4.6.3 (the version that my group works with) in order to get used to its programming style. When it executes there is a 'header' telling some basic info about the program (such as command-line options used) and after that I'm inquired to make selections (to fill the -select option) . Where does this header come from? I'm pretty sure it is not coded directly in the 'template.c'. I ask this because I'm trying to use the -select option inside the code, but it seems that I can't do that when I have this input asking. I'm worried that this is a too simple question, but I'm really stuck at this for 3 days. Pardon me if it is. Thanks in advance. Murilo G. K. <gromacs.org_gmx-users@maillist.sys.kth.se> -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
